Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.58 |
| ▸ | TACR1 | P25103 | 1/20 | 0.42 |
| ▸ | TPSAB1 | Q15661 | 3/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.38 |
| ▸ | PNMT | P11086 | 1/20 | 0.37 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.37 |
| ▸ | WDR5 | P61964 | 1/20 | 0.35 |
| ▸ | METAP2 | P50579 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.35 |
| ▸ | KLK1 | P06870 | 1/20 | 0.35 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL626342 | 0.89 | CYP2C9 (0.66) | CYP2C9CYP2C19TACR1RECQLMEN1 | |
| SCHEMBL10071127 | 0.81 | TACR1 (0.39) | CYP2C9CYP2C19TACR1TPSAB1CYP1A2 | |
| SCHEMBL625739 | 0.80 | CYP2C9 (0.51) | CYP2C9CYP2C19TACR1RECQLMEN1 | |
| SCHEMBL7041171 | 0.76 | CYP2C9 (0.58) | CYP2C9CYP2C19TPSAB1RECQLCYP1A2 | |
| SCHEMBL625883 | 0.76 | PNMT (0.56) | TSHRPNMT | |
| SCHEMBL626329 | 0.75 | CYP2C9 (0.62) | CYP2C9CYP2C19RECQLMEN1KMT2A | |
| SCHEMBL626651 | 0.75 | TPSAB1 (0.70) | CYP2C9CYP2C19TPSAB1RECQLCYP1A2 | |
| SCHEMBL25779411 | 0.74 | TACR1 (0.47) | CYP2C9CYP2C19TACR1MEN1KMT2A | |
| SCHEMBL625705 | 0.74 | CYP2C9 (0.47) | CYP2C9CYP2C19TACR1P2RX7 | |
| SCHEMBL11218167 | 0.73 | KMT2A (0.48) | CYP2C9CYP2C19TPSAB1CYP1A2CYP2D6 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012020220-A1 | COMPOUNDS | NOVACTA BIOSYSTEMS LIMITED (GB) | 2012-02-16 | — | — | WO | claimed |
| WO-2012020220-A1 | COMPOUNDS | NOVACTA BIOSYSTEMS LIMITED (GB) | 2012-02-16 | — | — | WO | disclosed |